1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium

C258H158N15O5+ — CID 159944220

IUPAC1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium
SMILESC1=CC2=[N+]=C(c3ccc4c(c3)C3(c5ccccc5C=C4)c4ccccc4-c4cc5oc6ccccc6c5cc43)N(c3ccccc3)C2C=C1.C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C54H33N3O.2C53H32N4O.C52H32N2O.C46H29N2O/c1-2-12-37(13-3-1)49-32-50(38-25-20-34(21-26-38)40-14-10-28-55-33-40)57-53(56-49)39-27-24-36-23-22-35-11-4-7-17-45(35)54(47(36)29-39)46-18-8-5-15-41(46)43-31-52-44(30-48(43)54)42-16-6-9-19-51(42)58-52;1-2-12-35(13-3-1)52-56-48(30-49(57-52)38-24-25-47(55-32-38)37-14-10-26-54-31-37)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-2-12-35(13-3-1)48-30-49(38-24-25-47(55-32-38)37-14-10-26-54-31-37)57-52(56-48)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-3-14-35(15-4-1)51-53-47-30-37(27-28-48(47)54(51)38-16-5-2-6-17-38)36-26-25-34-24-23-33-13-7-10-20-43(33)52(45(34)29-36)44-21-11-8-18-39(44)41-32-50-42(31-46(41)52)40-19-9-12-22-49(40)55-50;1-2-13-32(14-3-1)48-42-20-10-9-19-41(42)47-45(48)31-25-24-30-23-22-29-12-4-7-17-37(29)46(39(30)26-31)38-18-8-5-15-33(38)35-28-44-36(27-40(35)46)34-16-6-11-21-43(34)49-44/h1-33H;2*1-32H;1-32H;1-28,42H/q;;;;+1
InChIKeyFHCJMILUWVPOMO-UHFFFAOYSA-N
MW3548.20 g/mol
LogP61.46
Rot. Bonds17

About 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium

1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium (PubChem CID 159944220) has the molecular formula C258H158N15O5+ and a molecular weight of 3548.20 g/mol. Its IUPAC name is 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium.

Molecular Properties

Compound Name1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium
PubChem CID159944220
Molecular FormulaC258H158N15O5+
Molecular Weight3548.20 g/mol
Exact Mass3545.26
IUPAC Name1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium
SMILESC1=CC2=[N+]=C(c3ccc4c(c3)C3(c5ccccc5C=C4)c4ccccc4-c4cc5oc6ccccc6c5cc43)N(c3ccccc3)C2C=C1.C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12
InChIInChI=1S/C54H33N3O.2C53H32N4O.C52H32N2O.C46H29N2O/c1-2-12-37(13-3-1)49-32-50(38-25-20-34(21-26-38)40-14-10-28-55-33-40)57-53(56-49)39-27-24-36-23-22-35-11-4-7-17-45(35)54(47(36)29-39)46-18-8-5-15-41(46)43-31-52-44(30-48(43)54)42-16-6-9-19-51(42)58-52;1-2-12-35(13-3-1)52-56-48(30-49(57-52)38-24-25-47(55-32-38)37-14-10-26-54-31-37)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-2-12-35(13-3-1)48-30-49(38-24-25-47(55-32-38)37-14-10-26-54-31-37)57-52(56-48)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-3-14-35(15-4-1)51-53-47-30-37(27-28-48(47)54(51)38-16-5-2-6-17-38)36-26-25-34-24-23-33-13-7-10-20-43(33)52(45(34)29-36)44-21-11-8-18-39(44)41-32-50-42(31-46(41)52)40-19-9-12-22-49(40)55-50;1-2-13-32(14-3-1)48-42-20-10-9-19-41(42)47-45(48)31-25-24-30-23-22-29-12-4-7-17-37(29)46(39(30)26-31)38-18-8-5-15-33(38)35-28-44-36(27-40(35)46)34-16-6-11-21-43(34)49-44/h1-33H;2*1-32H;1-32H;1-28,42H/q;;;;+1
InChIKeyFHCJMILUWVPOMO-UHFFFAOYSA-N
XLogP61.46
TPSA242.65 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds17
Heavy Atoms278
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003548.20
LogP ≤ 561.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium?
The IUPAC name of 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium (CID 159944220) is 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium.
What is the SMILES notation for 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium?
The canonical SMILES for 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium is C1=CC2=[N+]=C(c3ccc4c(c3)C3(c5ccccc5C=C4)c4ccccc4-c4cc5oc6ccccc6c5cc43)N(c3ccccc3)C2C=C1.C1=Cc2ccc(-c3cc(-c4ccc(-c5cccnc5)nc4)nc(-c4ccccc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3ccc4c(c3)nc(-c3ccccc3)n4-c3ccccc3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)cc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.C1=Cc2ccc(-c3nc(-c4ccccc4)cc(-c4ccc(-c5cccnc5)nc4)n3)cc2C2(c3ccccc31)c1ccccc1-c1cc3oc4ccccc4c3cc12.
What is the InChIKey of 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium?
The InChIKey is FHCJMILUWVPOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N3O.2C53H32N4O.C52H32N2O.C46H29N2O/c1-2-12-37(13-3-1)49-32-50(38-25-20-34(21-26-38)40-14-10-28-55-33-40)57-53(56-49)39-27-24-36-23-22-35-11-4-7-17-45(35)54(47(36)29-39)46-18-8-5-15-41(46)43-31-52-44(30-48(43)54)42-16-6-9-19-51(42)58-52;1-2-12-35(13-3-1)52-56-48(30-49(57-52)38-24-25-47(55-32-38)37-14-10-26-54-31-37)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-2-12-35(13-3-1)48-30-49(38-24-25-47(55-32-38)37-14-10-26-54-31-37)57-52(56-48)36-23-22-34-21-20-33-11-4-7-17-43(33)53(45(34)27-36)44-18-8-5-15-39(44)41-29-51-42(28-46(41)53)40-16-6-9-19-50(40)58-51;1-3-14-35(15-4-1)51-53-47-30-37(27-28-48(47)54(51)38-16-5-2-6-17-38)36-26-25-34-24-23-33-13-7-10-20-43(33)52(45(34)29-36)44-21-11-8-18-39(44)41-32-50-42(31-46(41)52)40-19-9-12-22-49(40)55-50;1-2-13-32(14-3-1)48-42-20-10-9-19-41(42)47-45(48)31-25-24-30-23-22-29-12-4-7-17-37(29)46(39(30)26-31)38-18-8-5-15-33(38)35-28-44-36(27-40(35)46)34-16-6-11-21-43(34)49-44/h1-33H;2*1-32H;1-32H;1-28,42H/q;;;;+1.
What are the key properties of 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium?
1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium has a molecular weight of 3548.20 g/mol, XLogP of 61.46, 17 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-5-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylbenzimidazole;4-phenyl-6-(4-pyridin-3-ylphenyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;2-phenyl-4-(6-pyridin-3-yl-3-pyridinyl)-6-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;4-phenyl-6-(6-pyridin-3-yl-3-pyridinyl)-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-ylpyrimidine;3-phenyl-2-spiro[fluoreno[3,2-b][1]benzofuran-11,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-5'-yl-3aH-benzimidazol-1-ium is sourced from PubChem (CID 159944220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).